SCHEMBL2346301

SCHEMBL2346301

CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](O)C1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.51
HPGD P15428 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RECQL P46063 1/20 0.44
EPHX1 P07099 1/20 0.44
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR119 Q8TDV5 2/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL506327 1.00 NR1H2 (0.51) NR1H2HPGDALDH1A1MAPTMEN1
SCHEMBL23545717 1.00 NR1H2 (0.51) NR1H2HPGDALDH1A1MAPTMEN1
SCHEMBL29895151 1.00 NR1H2 (0.51) NR1H2HPGDALDH1A1MAPTMEN1
SCHEMBL651970 1.00 NR1H2 (0.51) NR1H2HPGDALDH1A1MAPTMEN1
SCHEMBL534801 0.89 NR1H2 (0.50) NR1H2HPGDALDH1A1MAPTMEN1
SCHEMBL15720480 0.89 NR1H2 (0.50) NR1H2HPGDALDH1A1MAPTMEN1
SCHEMBL14971268 0.89 NR1H2 (0.53) NR1H2HPGDALDH1A1MAPTMEN1
SCHEMBL21665989 0.89 NR1H2 (0.53) NR1H2HPGDALDH1A1MAPTMEN1
SCHEMBL34461164 0.89 NR1H2 (0.53) NR1H2HPGDALDH1A1MAPTMEN1
SCHEMBL29616656 0.89 NR1H2 (0.53) NR1H2HPGDALDH1A1MAPTMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536283-B1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA LLC (US) 2015-07-29 EP disclosed
US-9045461-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, LLC (US) 2015-06-02 US disclosed
US-20140206660-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof TRANSTECH PHARMA, LLC (US) 2014-07-24 US disclosed
US-8741900-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, LLC (US) 2014-06-03 US disclosed
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof TRANSTECH PHARMA, INC. (US) 2013-08-01 US disclosed
US-8431575-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-04-30 US disclosed
EP-2536283-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TransTech Pharma, Inc (US) 2012-12-26 EP disclosed
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA, INC. (US) 2011-09-22 US disclosed
WO-2011103091-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA, INC. (US) 2011-08-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140206660-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof AGER, NOD2, GPBAR1 NR1H2 454/4885HPGD 307/4885ALDH1A1 315/4885
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF AGER, PSEN2, PSEN1 NR1H2 249/4885HPGD 218/4885ALDH1A1 461/4885
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof AGER, PSEN2, PSEN1 NR1H2 249/4885HPGD 218/4885ALDH1A1 461/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.